BDBM50169126 (S)-2-((S)-2,6-Diamino-hexanoylamino)-pentanedioic acid::CHEMBL365790::Lys-Glu

SMILES: NCCCC[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI Key: InChIKey=UGTZHPSKYRIGRJ-YUMQZZPRSA-N

Data: 1 KI  1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50169126   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Oligopeptide transporter small intestine isoform (Homo sapiens (Human))	BDBM50169126 ((S)-2-((S)-2,6-Diamino-hexanoylamino)-pentanedioic...) Show SMILES NCCCC[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C11H21N3O5/c12-6-2-1-3-7(13)10(17)14-8(11(18)19)4-5-9(15)16/h7-8H,1-6,12-13H2,(H,14,17)(H,15,16)(H,18,19)/t7-,8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.30E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Binding affinity against membrane transport protein PEPT1 in human Caco-2 cells				J Med Chem 48: 4410-9 (2005) Article DOI: 10.1021/jm048982w BindingDB Entry DOI: 10.7270/Q2Q24116
					More data for this Ligand-Target Pair
Oligopeptide transporter small intestine isoform (Homo sapiens (Human))	BDBM50169126 ((S)-2-((S)-2,6-Diamino-hexanoylamino)-pentanedioic...) Show SMILES NCCCC[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C11H21N3O5/c12-6-2-1-3-7(13)10(17)14-8(11(18)19)4-5-9(15)16/h7-8H,1-6,12-13H2,(H,14,17)(H,15,16)(H,18,19)/t7-,8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells				J Med Chem 49: 3636-44 (2006) Article DOI: 10.1021/jm0511029 BindingDB Entry DOI: 10.7270/Q2P55P9R
					More data for this Ligand-Target Pair
Oligopeptide transporter small intestine isoform (Homo sapiens (Human))	BDBM50169126 ((S)-2-((S)-2,6-Diamino-hexanoylamino)-pentanedioic...) Show SMILES NCCCC[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C11H21N3O5/c12-6-2-1-3-7(13)10(17)14-8(11(18)19)4-5-9(15)16/h7-8H,1-6,12-13H2,(H,14,17)(H,15,16)(H,18,19)/t7-,8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5.30E+5	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Activation of human PEPT1 expressed in MDCK cells				J Med Chem 49: 3636-44 (2006) Article DOI: 10.1021/jm0511029 BindingDB Entry DOI: 10.7270/Q2P55P9R
					More data for this Ligand-Target Pair